Computer simulation of liquid methanol ii:system size effects

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To access the full text documents, please follow this link: http://hdl.handle.net/2117/24846

dc.contributor	Universitat Politècnica de Catalunya. Departament de Física i Enginyeria Nuclear
dc.contributor	Universitat Politècnica de Catalunya. SIMCON - Grup de Recerca de Simulació per Ordinador en Matèria Condensada
dc.contributor.author	Casulleras Ambrós, Joaquín
dc.contributor.author	Guàrdia Manuel, Elvira
dc.date	1991-01
dc.identifier.citation	Casulleras, J.; Guardia, E. Computer simulation of liquid methanol ii:system size effects. "Molecular simulation", Gener 1991, vol. 8, núm. 3-5, p. 273-283.
dc.identifier.citation	0892-7022
dc.identifier.citation	10.1080/08927029208022482
dc.identifier.uri	http://hdl.handle.net/2117/24846
dc.language.iso	eng
dc.rights	Attribution-NonCommercial-NoDerivs 3.0 Spain
dc.rights	info:eu-repo/semantics/openAccess
dc.rights	http://creativecommons.org/licenses/by-nc-nd/3.0/es/
dc.subject	Àrees temàtiques de la UPC::Física
dc.subject	Molecular dynamics
dc.subject	Methanol
dc.subject	Dielectric relaxation
dc.subject	Molecular dynamics
dc.subject	methanol
dc.subject	system size effects
dc.subject	dielectric constant
dc.subject	dielectric relaxation time
dc.subject	Dinàmica molecular
dc.subject	Metanol
dc.subject	Relaxació dielèctrica
dc.title	Computer simulation of liquid methanol ii:system size effects
dc.type	info:eu-repo/semantics/publishedVersion
dc.type	info:eu-repo/semantics/article
dc.description.abstract	A series of molecular dynamics simulations of liquid methanol has been carried out on a supernode transputer array. Four system sizes from 125 to 512 molecules have been considered, in order to study the effect of system size on the calculated structural, orientational and dynamic properties. The dielectric constant and the dielectric relaxation time are compared with experimental data.

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